3-[1-(4-chloro-2-methylbenzene-1-sulfonyl)pyrrolidin-2-yl]-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-[1-(4-chloro-2-methylbenzene-1-sulfonyl)pyrrolidin-2-yl]-4-phenyl-4H-1,2,4-triazole
3-[1-(4-chloro-2-methylbenzene-1-sulfonyl)pyrrolidin-2-yl]-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | CM2843-3982 |
| Compound Name: | 3-[1-(4-chloro-2-methylbenzene-1-sulfonyl)pyrrolidin-2-yl]-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 402.9 |
| Molecular Formula: | C19 H19 Cl N4 O2 S |
| Smiles: | Cc1cc(ccc1S(N1CCCC1c1nncn1c1ccccc1)(=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6171 |
| logD: | 3.617 |
| logSw: | -3.798 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.33 |
| InChI Key: | VDPXYUONGUYSIA-KRWDZBQOSA-N |